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Drimentine A

CAT: 0024-sc-391520Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-391520Size:1 mg
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CAS Number
204398-90-3

Chemical Information

Drimentine A
CAS Number204398-90-3
PubChem CID102434585
IUPAC Name(1S,4S,7S,9S)-9-[[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]-4-(2-methylpropyl)-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Molecular FormulaC32H45N3O2
Molecular Weight503.7
XLogP7.4
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity973
SMILES
CC(C)C[C@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2NC4=CC=CC=C43)C[C@H]5C(=C)CC[C@@H]6[C@@]5(CCCC6(C)C)C)C(=O)N1
InChI
InChI=1S/C32H45N3O2/c1-19(2)16-24-28(37)35-25(27(36)33-24)18-32(21-10-7-8-11-23(21)34-29(32)35)17-22-20(3)12-13-26-30(4,5)14-9-15-31(22,26)6/h7-8,10-11,19,22,24-26,29,34H,3,9,12-18H2,1-2,4-6H3,(H,33,36)/t22-,24-,25-,26-,29-,31+,32-/m0/s1
InChIKey
DXEZZWASEJCIRP-ANXNZIBUSA-N
Chemical Structure
2D Structure
2D structure of Drimentine A
CAS: 204398-90-3
CID: 102434585
Formula: C32H45N3O2
MW: 503.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight503.7
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass503.35117769
Monoisotopic Mass503.35117769
Topological Polar Surface Area61.4 Ų
Heavy Atom Count37
Formal Charge0
Complexity973
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
D066-1MGDrimentine A
D067-5MGDrimentine B
MBS5785376Drimentine C

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